>compound 6,7-Dihydroxycoumarin_6,7-Dihydroxycoumarin
#instrument UPLC Q-Tof Premier, Waters
>formula C9H6O4
#smiles O=C(C=2)Oc(c1)c(C2)cc(O)c(O)1
#RECORD LC-ESI-QTOF_train_data/PR100939.txt;LC-ESI-QTOF_train_data/PR100938.txt;LC-ESI-QTOF_train_data/PR100474.txt
>charge -1
>ionization [M-H]-
>parentmass 177.01881

>collision 30
65.0044 5.049
65.0418 11.21
67.0193 13.21
68.9981 4.602
75.0246 8.151
77.0404 64.69
79.0197 60.97
81.0352 44.67
82.0074 9.629
89.0397 151.5
91.0192 5.729
93.0346 73.6
95.0125 5.291
103.0186 7.84
104.0265 10.25
105.0347 107.1
107.014 31.48
109.0303 5.902
121.0292 41.38
131.0141 5.853
133.0288 63.02
149.0237 26.7
177.0188 13.68

>collision 5-60
77.0411 104.4
79.0206 37.56
81.0363 97.67
89.0412 368.8
93.0361 120.7
105.0357 581.0
107.0145 89.89
121.0304 95.72
133.0306 903.3
149.0251 173.6
177.0188 2929.0
177.2365 43.26
177.353 123.0
178.0287 31.1

>collision 5-60
67.0558 17.88
77.0398 217.8
89.0406 41.6
95.0499 23.76
105.0349 117.0
117.0358 18.4
123.0456 604.3
133.0298 409.6
135.0451 53.17
151.0402 105.9
179.0344 1105.0

